Published 1981 | Version v1
Book

CC and CS descriptions of phase-sensitive cross sections: computations for He+HCl

  • 1. Depts. of Chem. and Physics, Univ. of Houston Central Campus, TX 77004

Description

Detailed CC (coupled-cluster) and CS (coupled states or centrifugal sudden) calculation, for the He + HC1 system, of a wide variety of cross sections which are sensitive to the phase of the differential scattering amplitude are reported. The CS approximation gives a valid description of the scattering at a remarkably detailed level, although accuracy is not uniform for the various types of cross sections. Exact CC results show a strong propensity for j /su z/ preservation along the geometric or kineamatic apse. These results strongly indicate that the CS approximation provides a basically correct physical description of the He + HC1 collision system, and that its accuracy for detailed cross sections is not just the result of fortuitous cancelation of errors

Additional details

Publishing Information

Publisher
Plenum.
Imprint Place
New York, NY
Imprint Title
Potential energy surface and dynamics calculations
Journal Page Range
p. 717-736.

Conference

Title
180. American Chemical Society meeting/2. chemical congress of the North American Continent.
Dates
24 - 29 Aug 1980.
Place
Las Vegas, NV (USA).

INIS

Country of Publication
United States
Country of Input or Organization
United States
INIS RN
14736311
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY;
Resource subtype / Literary indicator
Conference
Descriptors DEI
CHEMICAL REACTIONS; CROSS SECTIONS; HELIUM; HYDROCHLORIC ACID; POTENTIAL ENERGY; SCATTERING
Descriptors DEC
CHLORINE COMPOUNDS; ELEMENTS; ENERGY; HALOGEN COMPOUNDS; HYDROGEN COMPOUNDS; INORGANIC ACIDS; NONMETALS; RARE GASES